USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= 1.26 K(o=1.3,f=-11!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0021) USER MOD Set 2.1: A 37 GLN : amide:sc= 1.8 K(o=4.8,f=0.62) USER MOD Set 2.2: A 72 HIS : +bothHN:sc= 1.84 K(o=4.8,f=-15!) USER MOD Set 2.3: B 3 THR OG1 : rot 36:sc= 1.15 USER MOD Set 3.1: A 19 LYS NZ :NH3+ -179:sc= 1.68 (180deg=1.65) USER MOD Set 3.2: A 24 TYR OH : rot -149:sc= 0.816 USER MOD Single : A 15 CYS SG : rot -79:sc= 0.981 USER MOD Single : A 16 CYS SG : rot 180:sc= 0.151 USER MOD Single : A 22 ASN : amide:sc=-0.000945 X(o=-0.00095,f=-0.48) USER MOD Single : A 27 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.016) USER MOD Single : A 29 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-3.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 0.851 (180deg=0.354) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -77:sc= 1.23 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.662 K(o=0.66,f=-6.9!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.26! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.96! C(o=-2!,f=-7!) USER MOD Single : A 77 SER OG : rot 75:sc= 1.23 USER MOD Single : A 84 ASN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 95 THR OG1 : rot -169:sc= -0.346 USER MOD Single : A 98 GLN : amide:sc= 0.104 X(o=0.1,f=-0.061) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0277 F(o=-1.4!,f=-0.028) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -11.331 -5.745 -2.697 1.00 0.00 N ATOM 107 CA LEU A 11 -10.112 -5.181 -3.264 1.00 0.00 C ATOM 108 C LEU A 11 -10.058 -3.646 -3.173 1.00 0.00 C ATOM 109 O LEU A 11 -9.981 -2.967 -4.199 1.00 0.00 O ATOM 110 CB LEU A 11 -9.983 -5.624 -4.730 1.00 0.00 C ATOM 111 CG LEU A 11 -11.312 -5.878 -5.465 1.00 0.00 C ATOM 112 CD1 LEU A 11 -12.208 -4.647 -5.446 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.045 -6.312 -6.895 1.00 0.00 C ATOM 0 HA LEU A 11 -9.276 -5.557 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.427 -4.861 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.389 -6.537 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.835 -6.677 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.136 -4.865 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.432 -4.376 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.698 -3.818 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.992 -6.489 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.493 -5.529 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.457 -7.230 -6.893 1.00 0.00 H new ATOM 125 N PRO A 12 -10.119 -3.077 -1.957 1.00 0.00 N ATOM 126 CA PRO A 12 -9.877 -1.649 -1.748 1.00 0.00 C ATOM 127 C PRO A 12 -8.564 -1.218 -2.394 1.00 0.00 C ATOM 128 O PRO A 12 -7.498 -1.738 -2.065 1.00 0.00 O ATOM 129 CB PRO A 12 -9.801 -1.516 -0.227 1.00 0.00 C ATOM 130 CG PRO A 12 -10.620 -2.646 0.288 1.00 0.00 C ATOM 131 CD PRO A 12 -10.456 -3.765 -0.706 1.00 0.00 C ATOM 0 HA PRO A 12 -10.649 -1.021 -2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.772 -1.579 0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.194 -0.556 0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.284 -2.952 1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.667 -2.358 0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.668 -4.455 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.371 -4.349 -0.805 1.00 0.00 H new ATOM 139 N ARG A 13 -8.653 -0.285 -3.322 1.00 0.00 N ATOM 140 CA ARG A 13 -7.504 0.111 -4.113 1.00 0.00 C ATOM 141 C ARG A 13 -6.701 1.191 -3.409 1.00 0.00 C ATOM 142 O ARG A 13 -7.249 2.191 -2.940 1.00 0.00 O ATOM 143 CB ARG A 13 -7.958 0.575 -5.499 1.00 0.00 C ATOM 144 CG ARG A 13 -9.310 1.266 -5.486 1.00 0.00 C ATOM 145 CD ARG A 13 -9.801 1.582 -6.886 1.00 0.00 C ATOM 146 NE ARG A 13 -11.248 1.781 -6.905 1.00 0.00 N ATOM 147 CZ ARG A 13 -11.843 2.960 -6.757 1.00 0.00 C ATOM 148 NH1 ARG A 13 -11.120 4.063 -6.651 1.00 0.00 N ATOM 149 NH2 ARG A 13 -13.166 3.040 -6.738 1.00 0.00 N ATOM 0 H ARG A 13 -9.513 0.215 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.851 -0.753 -4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.213 1.257 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.004 -0.286 -6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.037 0.630 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.240 2.189 -4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.303 2.478 -7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.534 0.768 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.840 0.962 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.102 4.010 -6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.581 4.966 -6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.729 2.196 -6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.621 3.946 -6.624 1.00 0.00 H new ATOM 163 N LEU A 14 -5.402 0.962 -3.317 1.00 0.00 N ATOM 164 CA LEU A 14 -4.502 1.917 -2.706 1.00 0.00 C ATOM 165 C LEU A 14 -3.948 2.853 -3.766 1.00 0.00 C ATOM 166 O LEU A 14 -3.239 2.428 -4.680 1.00 0.00 O ATOM 167 CB LEU A 14 -3.358 1.201 -1.992 1.00 0.00 C ATOM 168 CG LEU A 14 -2.459 2.097 -1.142 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.224 2.626 0.062 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.218 1.337 -0.704 1.00 0.00 C ATOM 0 H LEU A 14 -4.948 0.116 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.058 2.496 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.779 0.425 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.742 0.699 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.142 2.948 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.570 3.263 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.083 3.205 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.569 1.790 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.587 1.988 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.512 0.468 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.663 1.009 -1.583 1.00 0.00 H new ATOM 182 N CYS A 15 -4.286 4.114 -3.644 1.00 0.00 N ATOM 183 CA CYS A 15 -3.857 5.112 -4.596 1.00 0.00 C ATOM 184 C CYS A 15 -2.779 5.998 -3.987 1.00 0.00 C ATOM 185 O CYS A 15 -3.050 6.779 -3.078 1.00 0.00 O ATOM 186 CB CYS A 15 -5.059 5.956 -5.018 1.00 0.00 C ATOM 187 SG CYS A 15 -6.409 4.997 -5.737 1.00 0.00 S ATOM 0 H CYS A 15 -4.864 4.477 -2.886 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.437 4.616 -5.471 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.433 6.498 -4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.731 6.702 -5.742 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.129 4.713 -6.974 1.00 0.00 H new ATOM 193 N CYS A 16 -1.552 5.861 -4.464 1.00 0.00 N ATOM 194 CA CYS A 16 -0.483 6.736 -4.021 1.00 0.00 C ATOM 195 C CYS A 16 -0.572 8.064 -4.761 1.00 0.00 C ATOM 196 O CYS A 16 -0.248 8.153 -5.946 1.00 0.00 O ATOM 197 CB CYS A 16 0.879 6.072 -4.244 1.00 0.00 C ATOM 198 SG CYS A 16 1.038 5.224 -5.835 1.00 0.00 S ATOM 0 H CYS A 16 -1.275 5.159 -5.151 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.590 6.924 -2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.657 6.831 -4.170 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.057 5.354 -3.443 1.00 0.00 H new ATOM 0 HG CYS A 16 2.223 4.698 -5.930 1.00 0.00 H new ATOM 204 N LEU A 17 -1.022 9.093 -4.059 1.00 0.00 N ATOM 205 CA LEU A 17 -1.225 10.396 -4.668 1.00 0.00 C ATOM 206 C LEU A 17 0.025 11.253 -4.540 1.00 0.00 C ATOM 207 O LEU A 17 0.586 11.408 -3.451 1.00 0.00 O ATOM 208 CB LEU A 17 -2.440 11.113 -4.063 1.00 0.00 C ATOM 209 CG LEU A 17 -3.786 10.810 -4.734 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.173 9.354 -4.567 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.869 11.706 -4.167 1.00 0.00 C ATOM 0 H LEU A 17 -1.253 9.050 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.426 10.238 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.511 10.845 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.265 12.188 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.679 11.009 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.131 9.174 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.411 8.721 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.256 9.119 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.819 11.480 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.959 11.534 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.609 12.749 -4.346 1.00 0.00 H new ATOM 223 N GLU A 18 0.455 11.784 -5.671 1.00 0.00 N ATOM 224 CA GLU A 18 1.640 12.621 -5.744 1.00 0.00 C ATOM 225 C GLU A 18 1.290 14.077 -5.488 1.00 0.00 C ATOM 226 O GLU A 18 0.253 14.565 -5.943 1.00 0.00 O ATOM 227 CB GLU A 18 2.278 12.497 -7.127 1.00 0.00 C ATOM 228 CG GLU A 18 2.944 11.159 -7.387 1.00 0.00 C ATOM 229 CD GLU A 18 4.270 11.025 -6.670 1.00 0.00 C ATOM 230 OE1 GLU A 18 5.209 11.777 -7.014 1.00 0.00 O ATOM 231 OE2 GLU A 18 4.393 10.150 -5.792 1.00 0.00 O ATOM 0 H GLU A 18 -0.010 11.646 -6.568 1.00 0.00 H new ATOM 0 HA GLU A 18 2.341 12.286 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.512 12.662 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.019 13.288 -7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.279 10.357 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.100 11.036 -8.459 1.00 0.00 H new ATOM 238 N LYS A 19 2.152 14.757 -4.750 1.00 0.00 N ATOM 239 CA LYS A 19 2.025 16.189 -4.548 1.00 0.00 C ATOM 240 C LYS A 19 2.270 16.922 -5.860 1.00 0.00 C ATOM 241 O LYS A 19 3.413 17.076 -6.300 1.00 0.00 O ATOM 242 CB LYS A 19 3.013 16.664 -3.476 1.00 0.00 C ATOM 243 CG LYS A 19 3.034 18.171 -3.256 1.00 0.00 C ATOM 244 CD LYS A 19 1.704 18.696 -2.735 1.00 0.00 C ATOM 245 CE LYS A 19 1.255 17.964 -1.479 1.00 0.00 C ATOM 246 NZ LYS A 19 2.326 17.899 -0.444 1.00 0.00 N ATOM 0 H LYS A 19 2.952 14.336 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 19 1.014 16.410 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.768 16.176 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.015 16.337 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.824 18.422 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.277 18.670 -4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.793 19.761 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.944 18.589 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.381 18.465 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.946 16.952 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.977 17.376 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.158 17.412 -0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.592 18.863 -0.158 1.00 0.00 H new ATOM 260 N GLY A 20 1.185 17.352 -6.484 1.00 0.00 N ATOM 261 CA GLY A 20 1.277 18.068 -7.738 1.00 0.00 C ATOM 262 C GLY A 20 1.633 19.525 -7.537 1.00 0.00 C ATOM 263 O GLY A 20 2.560 19.838 -6.790 1.00 0.00 O ATOM 0 H GLY A 20 0.234 17.216 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.029 17.596 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.326 17.997 -8.266 1.00 0.00 H new ATOM 267 N PRO A 21 0.902 20.444 -8.183 1.00 0.00 N ATOM 268 CA PRO A 21 1.170 21.885 -8.089 1.00 0.00 C ATOM 269 C PRO A 21 1.103 22.401 -6.652 1.00 0.00 C ATOM 270 O PRO A 21 2.069 22.970 -6.140 1.00 0.00 O ATOM 271 CB PRO A 21 0.060 22.518 -8.938 1.00 0.00 C ATOM 272 CG PRO A 21 -0.396 21.430 -9.848 1.00 0.00 C ATOM 273 CD PRO A 21 -0.235 20.153 -9.074 1.00 0.00 C ATOM 0 HA PRO A 21 2.176 22.129 -8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.757 22.879 -8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.433 23.373 -9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.434 21.579 -10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.198 21.411 -10.762 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.135 19.906 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.027 19.307 -9.730 1.00 0.00 H new ATOM 281 N ASN A 22 -0.031 22.190 -5.999 1.00 0.00 N ATOM 282 CA ASN A 22 -0.235 22.693 -4.643 1.00 0.00 C ATOM 283 C ASN A 22 -1.124 21.748 -3.841 1.00 0.00 C ATOM 284 O ASN A 22 -1.760 22.151 -2.868 1.00 0.00 O ATOM 285 CB ASN A 22 -0.853 24.100 -4.688 1.00 0.00 C ATOM 286 CG ASN A 22 -2.252 24.118 -5.280 1.00 0.00 C ATOM 287 OD1 ASN A 22 -2.423 24.133 -6.499 1.00 0.00 O ATOM 288 ND2 ASN A 22 -3.261 24.139 -4.423 1.00 0.00 N ATOM 0 H ASN A 22 -0.824 21.675 -6.383 1.00 0.00 H new ATOM 0 HA ASN A 22 0.734 22.749 -4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.887 24.508 -3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.208 24.755 -5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.221 24.169 -4.766 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.078 24.125 -3.420 1.00 0.00 H new ATOM 295 N GLY A 23 -1.132 20.483 -4.234 1.00 0.00 N ATOM 296 CA GLY A 23 -2.013 19.518 -3.618 1.00 0.00 C ATOM 297 C GLY A 23 -2.093 18.245 -4.428 1.00 0.00 C ATOM 298 O GLY A 23 -1.087 17.805 -4.987 1.00 0.00 O ATOM 0 H GLY A 23 -0.539 20.108 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.658 19.289 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.009 19.948 -3.514 1.00 0.00 H new ATOM 302 N TYR A 24 -3.278 17.658 -4.512 1.00 0.00 N ATOM 303 CA TYR A 24 -3.439 16.376 -5.186 1.00 0.00 C ATOM 304 C TYR A 24 -4.506 16.447 -6.274 1.00 0.00 C ATOM 305 O TYR A 24 -4.460 15.692 -7.241 1.00 0.00 O ATOM 306 CB TYR A 24 -3.767 15.289 -4.165 1.00 0.00 C ATOM 307 CG TYR A 24 -2.761 15.244 -3.041 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.512 14.669 -3.229 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.043 15.810 -1.807 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.574 14.653 -2.218 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.113 15.795 -0.787 1.00 0.00 C ATOM 312 CZ TYR A 24 -0.879 15.217 -0.999 1.00 0.00 C ATOM 313 OH TYR A 24 0.051 15.211 0.013 1.00 0.00 O ATOM 0 H TYR A 24 -4.138 18.046 -4.125 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.498 16.125 -5.675 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.761 15.466 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.796 14.320 -4.664 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.270 14.226 -4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.006 16.270 -1.641 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.393 14.201 -2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.350 16.233 0.171 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.407 15.168 0.878 1.00 0.00 H new ATOM 323 N GLY A 25 -5.464 17.347 -6.104 1.00 0.00 N ATOM 324 CA GLY A 25 -6.380 17.668 -7.178 1.00 0.00 C ATOM 325 C GLY A 25 -7.734 16.989 -7.072 1.00 0.00 C ATOM 326 O GLY A 25 -8.291 16.560 -8.081 1.00 0.00 O ATOM 0 H GLY A 25 -5.623 17.862 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.529 18.747 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.921 17.389 -8.126 1.00 0.00 H new ATOM 330 N PHE A 26 -8.276 16.879 -5.870 1.00 0.00 N ATOM 331 CA PHE A 26 -9.635 16.395 -5.720 1.00 0.00 C ATOM 332 C PHE A 26 -10.360 17.154 -4.621 1.00 0.00 C ATOM 333 O PHE A 26 -9.740 17.754 -3.743 1.00 0.00 O ATOM 334 CB PHE A 26 -9.671 14.882 -5.461 1.00 0.00 C ATOM 335 CG PHE A 26 -8.964 14.431 -4.215 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.581 14.446 -4.138 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.684 13.973 -3.128 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.933 14.014 -2.999 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.040 13.534 -1.988 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.663 13.557 -1.924 1.00 0.00 C ATOM 0 H PHE A 26 -7.803 17.115 -4.997 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.156 16.577 -6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.712 14.564 -5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.228 14.372 -6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.003 14.800 -4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.763 13.958 -3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.854 14.034 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.614 13.173 -1.148 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.157 13.217 -1.032 1.00 0.00 H new ATOM 350 N HIS A 27 -11.676 17.149 -4.708 1.00 0.00 N ATOM 351 CA HIS A 27 -12.521 17.808 -3.730 1.00 0.00 C ATOM 352 C HIS A 27 -13.205 16.739 -2.903 1.00 0.00 C ATOM 353 O HIS A 27 -13.959 15.934 -3.441 1.00 0.00 O ATOM 354 CB HIS A 27 -13.587 18.685 -4.413 1.00 0.00 C ATOM 355 CG HIS A 27 -13.037 19.785 -5.278 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.471 21.092 -5.209 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.102 19.759 -6.260 1.00 0.00 C ATOM 358 CE1 HIS A 27 -12.828 21.815 -6.104 1.00 0.00 C ATOM 359 NE2 HIS A 27 -11.993 21.031 -6.754 1.00 0.00 N ATOM 0 H HIS A 27 -12.190 16.688 -5.459 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.906 18.455 -3.104 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.226 18.047 -5.023 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.220 19.128 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.546 18.894 -6.591 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.963 22.873 -6.276 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.367 21.324 -7.504 1.00 0.00 H new ATOM 368 N LEU A 28 -12.926 16.706 -1.615 1.00 0.00 N ATOM 369 CA LEU A 28 -13.512 15.698 -0.751 1.00 0.00 C ATOM 370 C LEU A 28 -14.667 16.304 0.034 1.00 0.00 C ATOM 371 O LEU A 28 -14.530 17.379 0.620 1.00 0.00 O ATOM 372 CB LEU A 28 -12.439 15.122 0.188 1.00 0.00 C ATOM 373 CG LEU A 28 -12.834 13.865 0.980 1.00 0.00 C ATOM 374 CD1 LEU A 28 -11.599 13.049 1.323 1.00 0.00 C ATOM 375 CD2 LEU A 28 -13.573 14.236 2.257 1.00 0.00 C ATOM 0 H LEU A 28 -12.301 17.361 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.903 14.880 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.554 14.890 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.152 15.898 0.898 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.498 13.269 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.893 12.162 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.096 12.747 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.921 13.652 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.841 13.329 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.930 14.856 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.478 14.790 2.006 1.00 0.00 H new ATOM 387 N HIS A 29 -15.804 15.623 0.030 1.00 0.00 N ATOM 388 CA HIS A 29 -16.954 16.079 0.791 1.00 0.00 C ATOM 389 C HIS A 29 -17.151 15.161 1.982 1.00 0.00 C ATOM 390 O HIS A 29 -17.001 13.941 1.872 1.00 0.00 O ATOM 391 CB HIS A 29 -18.234 16.143 -0.067 1.00 0.00 C ATOM 392 CG HIS A 29 -18.945 14.830 -0.283 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.985 14.402 0.517 1.00 0.00 N ATOM 394 CD2 HIS A 29 -18.783 13.873 -1.226 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.430 13.240 0.075 1.00 0.00 C ATOM 396 NE2 HIS A 29 -19.721 12.899 -0.984 1.00 0.00 N ATOM 0 H HIS A 29 -15.953 14.758 -0.489 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.759 17.096 1.133 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -18.930 16.838 0.403 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.976 16.559 -1.041 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.052 13.875 -2.021 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.237 12.667 0.507 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.849 12.050 -1.534 1.00 0.00 H new ATOM 405 N GLY A 30 -17.469 15.741 3.113 1.00 0.00 N ATOM 406 CA GLY A 30 -17.622 14.961 4.307 1.00 0.00 C ATOM 407 C GLY A 30 -18.854 15.354 5.067 1.00 0.00 C ATOM 408 O GLY A 30 -19.197 16.537 5.140 1.00 0.00 O ATOM 0 H GLY A 30 -17.625 16.742 3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.675 13.904 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.745 15.090 4.942 1.00 0.00 H new ATOM 412 N GLU A 31 -19.521 14.373 5.629 1.00 0.00 N ATOM 413 CA GLU A 31 -20.699 14.638 6.417 1.00 0.00 C ATOM 414 C GLU A 31 -20.254 15.068 7.804 1.00 0.00 C ATOM 415 O GLU A 31 -19.249 14.570 8.319 1.00 0.00 O ATOM 416 CB GLU A 31 -21.590 13.399 6.470 1.00 0.00 C ATOM 417 CG GLU A 31 -21.922 12.837 5.091 1.00 0.00 C ATOM 418 CD GLU A 31 -22.524 13.873 4.154 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.718 14.204 4.316 1.00 0.00 O ATOM 420 OE2 GLU A 31 -21.810 14.357 3.248 1.00 0.00 O ATOM 0 H GLU A 31 -19.268 13.388 5.555 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.289 15.436 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.094 12.628 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.517 13.648 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.015 12.433 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -22.620 12.007 5.202 1.00 0.00 H new ATOM 427 N LYS A 32 -20.978 16.004 8.390 1.00 0.00 N ATOM 428 CA LYS A 32 -20.532 16.671 9.605 1.00 0.00 C ATOM 429 C LYS A 32 -20.728 15.804 10.847 1.00 0.00 C ATOM 430 O LYS A 32 -21.506 16.129 11.744 1.00 0.00 O ATOM 431 CB LYS A 32 -21.241 18.019 9.741 1.00 0.00 C ATOM 432 CG LYS A 32 -20.866 18.995 8.632 1.00 0.00 C ATOM 433 CD LYS A 32 -21.650 20.296 8.716 1.00 0.00 C ATOM 434 CE LYS A 32 -23.131 20.075 8.452 1.00 0.00 C ATOM 435 NZ LYS A 32 -23.896 21.350 8.466 1.00 0.00 N ATOM 0 H LYS A 32 -21.883 16.323 8.044 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.459 16.843 9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.319 17.860 9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -20.993 18.460 10.707 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -19.799 19.212 8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.046 18.527 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.518 20.738 9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.253 21.008 7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -23.258 19.587 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.537 19.400 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.901 21.154 8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.797 21.804 9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.527 21.985 7.730 1.00 0.00 H new ATOM 449 N GLY A 33 -20.005 14.697 10.872 1.00 0.00 N ATOM 450 CA GLY A 33 -19.947 13.837 12.032 1.00 0.00 C ATOM 451 C GLY A 33 -18.542 13.310 12.217 1.00 0.00 C ATOM 452 O GLY A 33 -17.662 14.033 12.682 1.00 0.00 O ATOM 0 H GLY A 33 -19.443 14.373 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.257 14.389 12.920 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.643 13.006 11.914 1.00 0.00 H new ATOM 456 N LYS A 34 -18.318 12.064 11.831 1.00 0.00 N ATOM 457 CA LYS A 34 -16.978 11.496 11.814 1.00 0.00 C ATOM 458 C LYS A 34 -16.813 10.618 10.595 1.00 0.00 C ATOM 459 O LYS A 34 -16.120 10.971 9.639 1.00 0.00 O ATOM 460 CB LYS A 34 -16.697 10.674 13.074 1.00 0.00 C ATOM 461 CG LYS A 34 -16.379 11.508 14.294 1.00 0.00 C ATOM 462 CD LYS A 34 -15.920 10.635 15.450 1.00 0.00 C ATOM 463 CE LYS A 34 -15.250 11.458 16.537 1.00 0.00 C ATOM 464 NZ LYS A 34 -14.038 12.156 16.025 1.00 0.00 N ATOM 0 H LYS A 34 -19.050 11.424 11.524 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.266 12.321 11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.564 10.050 13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.862 10.002 12.878 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.602 12.232 14.050 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.261 12.075 14.591 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.775 10.105 15.869 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.225 9.880 15.083 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.956 12.191 16.927 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.973 10.809 17.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.477 12.510 16.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.465 11.492 15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.325 12.955 15.424 1.00 0.00 H new ATOM 478 N LEU A 35 -17.483 9.486 10.625 1.00 0.00 N ATOM 479 CA LEU A 35 -17.385 8.519 9.555 1.00 0.00 C ATOM 480 C LEU A 35 -18.295 8.892 8.403 1.00 0.00 C ATOM 481 O LEU A 35 -19.520 8.943 8.540 1.00 0.00 O ATOM 482 CB LEU A 35 -17.706 7.117 10.062 1.00 0.00 C ATOM 483 CG LEU A 35 -16.719 6.577 11.090 1.00 0.00 C ATOM 484 CD1 LEU A 35 -17.125 6.962 12.504 1.00 0.00 C ATOM 485 CD2 LEU A 35 -16.583 5.074 10.948 1.00 0.00 C ATOM 0 H LEU A 35 -18.106 9.212 11.385 1.00 0.00 H new ATOM 0 HA LEU A 35 -16.358 8.524 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -18.703 7.123 10.502 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.736 6.435 9.212 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.746 7.030 10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.400 6.561 13.213 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.155 8.048 12.591 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.111 6.553 12.723 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.875 4.701 11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.554 4.604 11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.222 4.834 9.948 1.00 0.00 H new ATOM 497 N GLY A 36 -17.680 9.149 7.267 1.00 0.00 N ATOM 498 CA GLY A 36 -18.423 9.551 6.089 1.00 0.00 C ATOM 499 C GLY A 36 -17.664 10.553 5.247 1.00 0.00 C ATOM 500 O GLY A 36 -18.118 11.679 5.046 1.00 0.00 O ATOM 0 H GLY A 36 -16.671 9.087 7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.649 8.671 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.376 9.983 6.393 1.00 0.00 H new ATOM 504 N GLN A 37 -16.501 10.143 4.762 1.00 0.00 N ATOM 505 CA GLN A 37 -15.686 10.994 3.906 1.00 0.00 C ATOM 506 C GLN A 37 -15.673 10.429 2.488 1.00 0.00 C ATOM 507 O GLN A 37 -15.205 9.311 2.263 1.00 0.00 O ATOM 508 CB GLN A 37 -14.258 11.082 4.449 1.00 0.00 C ATOM 509 CG GLN A 37 -14.179 11.350 5.949 1.00 0.00 C ATOM 510 CD GLN A 37 -14.816 12.666 6.363 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.824 13.643 5.608 1.00 0.00 O ATOM 512 NE2 GLN A 37 -15.348 12.704 7.574 1.00 0.00 N ATOM 0 H GLN A 37 -16.099 9.224 4.947 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.113 11.997 3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.739 10.149 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.728 11.874 3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.668 10.535 6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.133 11.349 6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.322 11.876 8.169 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -15.784 13.562 7.913 1.00 0.00 H new ATOM 521 N TYR A 38 -16.193 11.196 1.539 1.00 0.00 N ATOM 522 CA TYR A 38 -16.337 10.728 0.164 1.00 0.00 C ATOM 523 C TYR A 38 -15.784 11.762 -0.808 1.00 0.00 C ATOM 524 O TYR A 38 -15.788 12.958 -0.524 1.00 0.00 O ATOM 525 CB TYR A 38 -17.815 10.461 -0.158 1.00 0.00 C ATOM 526 CG TYR A 38 -18.468 9.410 0.717 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.973 9.731 1.971 1.00 0.00 C ATOM 528 CD2 TYR A 38 -18.579 8.095 0.286 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.569 8.775 2.771 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.176 7.133 1.078 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.665 7.476 2.322 1.00 0.00 C ATOM 532 OH TYR A 38 -20.249 6.517 3.118 1.00 0.00 O ATOM 0 H TYR A 38 -16.523 12.148 1.695 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.775 9.800 0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.370 11.394 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.897 10.151 -1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.898 10.748 2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -18.192 7.819 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.957 9.044 3.742 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -19.260 6.116 0.725 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.238 5.655 2.653 1.00 0.00 H new ATOM 542 N ILE A 39 -15.309 11.301 -1.956 1.00 0.00 N ATOM 543 CA ILE A 39 -14.789 12.202 -2.975 1.00 0.00 C ATOM 544 C ILE A 39 -15.944 12.848 -3.728 1.00 0.00 C ATOM 545 O ILE A 39 -16.862 12.168 -4.186 1.00 0.00 O ATOM 546 CB ILE A 39 -13.854 11.481 -3.972 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.814 10.642 -3.221 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.158 12.498 -4.871 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.915 11.454 -2.315 1.00 0.00 C ATOM 0 H ILE A 39 -15.273 10.313 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.199 12.965 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.455 10.816 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.330 9.889 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.198 10.109 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.502 11.978 -5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.905 13.063 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.568 13.181 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.206 10.792 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.371 12.190 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.520 11.966 -1.566 1.00 0.00 H new ATOM 561 N ARG A 40 -15.887 14.162 -3.840 1.00 0.00 N ATOM 562 CA ARG A 40 -16.984 14.944 -4.386 1.00 0.00 C ATOM 563 C ARG A 40 -16.740 15.247 -5.861 1.00 0.00 C ATOM 564 O ARG A 40 -17.651 15.176 -6.682 1.00 0.00 O ATOM 565 CB ARG A 40 -17.098 16.246 -3.587 1.00 0.00 C ATOM 566 CG ARG A 40 -18.507 16.797 -3.444 1.00 0.00 C ATOM 567 CD ARG A 40 -19.027 17.424 -4.721 1.00 0.00 C ATOM 568 NE ARG A 40 -20.025 18.449 -4.428 1.00 0.00 N ATOM 569 CZ ARG A 40 -21.230 18.509 -4.986 1.00 0.00 C ATOM 570 NH1 ARG A 40 -21.598 17.606 -5.886 1.00 0.00 N ATOM 571 NH2 ARG A 40 -22.073 19.471 -4.629 1.00 0.00 N ATOM 0 H ARG A 40 -15.081 14.718 -3.556 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.913 14.379 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.688 16.079 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.476 17.003 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -19.177 15.993 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.522 17.541 -2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.200 17.864 -5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.465 16.655 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.780 19.169 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.955 16.861 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.524 17.657 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.795 20.159 -3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.999 19.522 -5.054 1.00 0.00 H new ATOM 585 N LEU A 41 -15.500 15.582 -6.183 1.00 0.00 N ATOM 586 CA LEU A 41 -15.127 15.938 -7.541 1.00 0.00 C ATOM 587 C LEU A 41 -13.625 15.782 -7.725 1.00 0.00 C ATOM 588 O LEU A 41 -12.854 16.097 -6.822 1.00 0.00 O ATOM 589 CB LEU A 41 -15.545 17.381 -7.847 1.00 0.00 C ATOM 590 CG LEU A 41 -15.224 17.873 -9.259 1.00 0.00 C ATOM 591 CD1 LEU A 41 -16.041 17.108 -10.291 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.488 19.366 -9.365 1.00 0.00 C ATOM 0 H LEU A 41 -14.730 15.614 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.642 15.270 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.619 17.472 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.057 18.042 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.168 17.692 -9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.799 17.472 -11.289 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.807 16.045 -10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.103 17.258 -10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.256 19.706 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.537 19.566 -9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.861 19.898 -8.650 1.00 0.00 H new ATOM 604 N VAL A 42 -13.215 15.296 -8.883 1.00 0.00 N ATOM 605 CA VAL A 42 -11.802 15.110 -9.180 1.00 0.00 C ATOM 606 C VAL A 42 -11.370 16.054 -10.296 1.00 0.00 C ATOM 607 O VAL A 42 -12.121 16.297 -11.240 1.00 0.00 O ATOM 608 CB VAL A 42 -11.491 13.651 -9.590 1.00 0.00 C ATOM 609 CG1 VAL A 42 -10.012 13.469 -9.897 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.922 12.687 -8.496 1.00 0.00 C ATOM 0 H VAL A 42 -13.843 15.021 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.245 15.335 -8.271 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.056 13.432 -10.496 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.824 12.434 -10.182 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.727 14.129 -10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.424 13.714 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.696 11.665 -8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.386 12.918 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.994 12.786 -8.326 1.00 0.00 H new ATOM 620 N GLU A 43 -10.179 16.615 -10.160 1.00 0.00 N ATOM 621 CA GLU A 43 -9.618 17.476 -11.170 1.00 0.00 C ATOM 622 C GLU A 43 -9.002 16.615 -12.269 1.00 0.00 C ATOM 623 O GLU A 43 -8.147 15.778 -11.996 1.00 0.00 O ATOM 624 CB GLU A 43 -8.551 18.366 -10.527 1.00 0.00 C ATOM 625 CG GLU A 43 -8.052 19.468 -11.430 1.00 0.00 C ATOM 626 CD GLU A 43 -9.078 20.565 -11.625 1.00 0.00 C ATOM 627 OE1 GLU A 43 -9.909 20.449 -12.548 1.00 0.00 O ATOM 628 OE2 GLU A 43 -9.057 21.547 -10.860 1.00 0.00 O ATOM 0 H GLU A 43 -9.580 16.482 -9.345 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.392 18.108 -11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.960 18.810 -9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.707 17.746 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.143 19.896 -11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.786 19.047 -12.399 1.00 0.00 H new ATOM 635 N PRO A 44 -9.447 16.789 -13.523 1.00 0.00 N ATOM 636 CA PRO A 44 -8.931 16.021 -14.664 1.00 0.00 C ATOM 637 C PRO A 44 -7.423 16.180 -14.834 1.00 0.00 C ATOM 638 O PRO A 44 -6.756 15.326 -15.419 1.00 0.00 O ATOM 639 CB PRO A 44 -9.671 16.616 -15.870 1.00 0.00 C ATOM 640 CG PRO A 44 -10.218 17.918 -15.391 1.00 0.00 C ATOM 641 CD PRO A 44 -10.495 17.732 -13.931 1.00 0.00 C ATOM 0 HA PRO A 44 -9.094 14.951 -14.537 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.996 16.759 -16.714 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.469 15.954 -16.208 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.504 18.726 -15.554 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.127 18.183 -15.931 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.430 18.672 -13.383 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.493 17.330 -13.756 1.00 0.00 H new ATOM 649 N GLY A 45 -6.895 17.281 -14.319 1.00 0.00 N ATOM 650 CA GLY A 45 -5.467 17.517 -14.366 1.00 0.00 C ATOM 651 C GLY A 45 -4.803 17.301 -13.018 1.00 0.00 C ATOM 652 O GLY A 45 -4.016 18.131 -12.566 1.00 0.00 O ATOM 0 H GLY A 45 -7.434 18.019 -13.867 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.015 16.852 -15.102 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.280 18.537 -14.701 1.00 0.00 H new ATOM 656 N SER A 46 -5.134 16.194 -12.365 1.00 0.00 N ATOM 657 CA SER A 46 -4.559 15.878 -11.066 1.00 0.00 C ATOM 658 C SER A 46 -3.827 14.540 -11.103 1.00 0.00 C ATOM 659 O SER A 46 -4.108 13.691 -11.947 1.00 0.00 O ATOM 660 CB SER A 46 -5.667 15.818 -10.014 1.00 0.00 C ATOM 661 OG SER A 46 -6.538 14.724 -10.251 1.00 0.00 O ATOM 0 H SER A 46 -5.797 15.502 -12.714 1.00 0.00 H new ATOM 0 HA SER A 46 -3.844 16.660 -10.810 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.226 15.727 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.235 16.748 -10.026 1.00 0.00 H new ATOM 0 HG SER A 46 -7.147 14.944 -10.986 1.00 0.00 H new ATOM 667 N PRO A 47 -2.858 14.343 -10.197 1.00 0.00 N ATOM 668 CA PRO A 47 -2.234 13.039 -9.977 1.00 0.00 C ATOM 669 C PRO A 47 -3.192 12.076 -9.278 1.00 0.00 C ATOM 670 O PRO A 47 -2.949 10.871 -9.216 1.00 0.00 O ATOM 671 CB PRO A 47 -1.032 13.340 -9.069 1.00 0.00 C ATOM 672 CG PRO A 47 -0.905 14.829 -9.029 1.00 0.00 C ATOM 673 CD PRO A 47 -2.266 15.381 -9.340 1.00 0.00 C ATOM 0 HA PRO A 47 -1.951 12.561 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.188 12.935 -8.069 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.124 12.882 -9.460 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.565 15.163 -8.049 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.170 15.175 -9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.853 15.540 -8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.204 16.341 -9.853 1.00 0.00 H new ATOM 681 N ALA A 48 -4.275 12.625 -8.743 1.00 0.00 N ATOM 682 CA ALA A 48 -5.268 11.837 -8.030 1.00 0.00 C ATOM 683 C ALA A 48 -6.011 10.894 -8.968 1.00 0.00 C ATOM 684 O ALA A 48 -6.174 9.711 -8.669 1.00 0.00 O ATOM 685 CB ALA A 48 -6.253 12.751 -7.321 1.00 0.00 C ATOM 0 H ALA A 48 -4.488 13.621 -8.791 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.744 11.231 -7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.991 12.149 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.718 13.380 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.757 13.381 -8.054 1.00 0.00 H new ATOM 691 N GLU A 49 -6.446 11.417 -10.109 1.00 0.00 N ATOM 692 CA GLU A 49 -7.253 10.640 -11.043 1.00 0.00 C ATOM 693 C GLU A 49 -6.465 9.484 -11.659 1.00 0.00 C ATOM 694 O GLU A 49 -7.010 8.402 -11.869 1.00 0.00 O ATOM 695 CB GLU A 49 -7.861 11.547 -12.123 1.00 0.00 C ATOM 696 CG GLU A 49 -6.864 12.427 -12.867 1.00 0.00 C ATOM 697 CD GLU A 49 -6.382 11.814 -14.168 1.00 0.00 C ATOM 698 OE1 GLU A 49 -7.203 11.666 -15.097 1.00 0.00 O ATOM 699 OE2 GLU A 49 -5.184 11.485 -14.271 1.00 0.00 O ATOM 0 H GLU A 49 -6.254 12.373 -10.409 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.071 10.194 -10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.382 10.922 -12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.610 12.187 -11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.326 13.392 -13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.006 12.618 -12.223 1.00 0.00 H new ATOM 706 N LYS A 50 -5.178 9.695 -11.919 1.00 0.00 N ATOM 707 CA LYS A 50 -4.346 8.642 -12.499 1.00 0.00 C ATOM 708 C LYS A 50 -4.018 7.574 -11.466 1.00 0.00 C ATOM 709 O LYS A 50 -3.711 6.433 -11.811 1.00 0.00 O ATOM 710 CB LYS A 50 -3.047 9.203 -13.070 1.00 0.00 C ATOM 711 CG LYS A 50 -2.183 9.935 -12.053 1.00 0.00 C ATOM 712 CD LYS A 50 -0.718 9.913 -12.454 1.00 0.00 C ATOM 713 CE LYS A 50 -0.515 10.453 -13.858 1.00 0.00 C ATOM 714 NZ LYS A 50 0.862 10.201 -14.353 1.00 0.00 N ATOM 0 H LYS A 50 -4.692 10.574 -11.740 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.922 8.196 -13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.469 8.385 -13.499 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.287 9.886 -13.885 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.521 10.967 -11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.301 9.473 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.138 10.507 -11.748 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.340 8.892 -12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.234 9.989 -14.533 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.714 11.525 -13.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.961 10.584 -15.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.548 10.665 -13.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.043 9.177 -14.368 1.00 0.00 H new ATOM 728 N ALA A 51 -4.077 7.953 -10.194 1.00 0.00 N ATOM 729 CA ALA A 51 -3.838 7.014 -9.108 1.00 0.00 C ATOM 730 C ALA A 51 -5.000 6.033 -8.990 1.00 0.00 C ATOM 731 O ALA A 51 -4.903 5.011 -8.309 1.00 0.00 O ATOM 732 CB ALA A 51 -3.630 7.764 -7.799 1.00 0.00 C ATOM 0 H ALA A 51 -4.288 8.904 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.933 6.447 -9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.452 7.050 -6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.770 8.427 -7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.519 8.353 -7.572 1.00 0.00 H new ATOM 738 N GLY A 52 -6.093 6.346 -9.674 1.00 0.00 N ATOM 739 CA GLY A 52 -7.262 5.490 -9.641 1.00 0.00 C ATOM 740 C GLY A 52 -8.314 5.979 -8.669 1.00 0.00 C ATOM 741 O GLY A 52 -9.227 5.241 -8.314 1.00 0.00 O ATOM 0 H GLY A 52 -6.190 7.180 -10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.694 5.433 -10.640 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.960 4.479 -9.366 1.00 0.00 H new ATOM 745 N LEU A 53 -8.170 7.218 -8.225 1.00 0.00 N ATOM 746 CA LEU A 53 -9.142 7.833 -7.337 1.00 0.00 C ATOM 747 C LEU A 53 -10.281 8.439 -8.157 1.00 0.00 C ATOM 748 O LEU A 53 -10.051 9.252 -9.059 1.00 0.00 O ATOM 749 CB LEU A 53 -8.442 8.893 -6.479 1.00 0.00 C ATOM 750 CG LEU A 53 -9.281 9.523 -5.367 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.426 9.725 -4.127 1.00 0.00 C ATOM 752 CD2 LEU A 53 -9.863 10.854 -5.821 1.00 0.00 C ATOM 0 H LEU A 53 -7.383 7.820 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.572 7.083 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.559 8.440 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.091 9.689 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.105 8.850 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.029 10.174 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.044 8.762 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.591 10.384 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.457 11.285 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.053 11.536 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.497 10.695 -6.693 1.00 0.00 H new ATOM 764 N LEU A 54 -11.501 8.027 -7.851 1.00 0.00 N ATOM 765 CA LEU A 54 -12.668 8.453 -8.609 1.00 0.00 C ATOM 766 C LEU A 54 -13.496 9.456 -7.817 1.00 0.00 C ATOM 767 O LEU A 54 -13.366 9.567 -6.596 1.00 0.00 O ATOM 768 CB LEU A 54 -13.530 7.241 -8.972 1.00 0.00 C ATOM 769 CG LEU A 54 -12.848 6.201 -9.863 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.769 5.013 -10.090 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.440 6.823 -11.190 1.00 0.00 C ATOM 0 H LEU A 54 -11.710 7.394 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.322 8.937 -9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.850 6.754 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.430 7.593 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.948 5.848 -9.359 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.270 4.282 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.014 4.554 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.685 5.350 -10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.956 6.069 -11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.325 7.202 -11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.746 7.644 -11.009 1.00 0.00 H new ATOM 783 N ALA A 55 -14.365 10.171 -8.521 1.00 0.00 N ATOM 784 CA ALA A 55 -15.193 11.208 -7.913 1.00 0.00 C ATOM 785 C ALA A 55 -16.435 10.608 -7.271 1.00 0.00 C ATOM 786 O ALA A 55 -17.521 11.186 -7.329 1.00 0.00 O ATOM 787 CB ALA A 55 -15.581 12.250 -8.953 1.00 0.00 C ATOM 0 H ALA A 55 -14.516 10.051 -9.523 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.611 11.694 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.198 13.018 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.681 12.708 -9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.142 11.772 -9.756 1.00 0.00 H new ATOM 793 N GLY A 56 -16.265 9.448 -6.660 1.00 0.00 N ATOM 794 CA GLY A 56 -17.363 8.784 -5.998 1.00 0.00 C ATOM 795 C GLY A 56 -16.880 7.683 -5.086 1.00 0.00 C ATOM 796 O GLY A 56 -17.576 6.697 -4.872 1.00 0.00 O ATOM 0 H GLY A 56 -15.376 8.951 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.933 9.511 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.040 8.368 -6.744 1.00 0.00 H new ATOM 800 N ASP A 57 -15.678 7.851 -4.555 1.00 0.00 N ATOM 801 CA ASP A 57 -15.085 6.859 -3.666 1.00 0.00 C ATOM 802 C ASP A 57 -15.129 7.349 -2.231 1.00 0.00 C ATOM 803 O ASP A 57 -15.349 8.535 -1.980 1.00 0.00 O ATOM 804 CB ASP A 57 -13.631 6.579 -4.050 1.00 0.00 C ATOM 805 CG ASP A 57 -13.485 5.970 -5.428 1.00 0.00 C ATOM 806 OD1 ASP A 57 -14.384 5.218 -5.857 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.460 6.237 -6.085 1.00 0.00 O ATOM 0 H ASP A 57 -15.091 8.668 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.662 5.939 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.066 7.510 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.191 5.906 -3.314 1.00 0.00 H new ATOM 812 N ARG A 58 -14.917 6.441 -1.291 1.00 0.00 N ATOM 813 CA ARG A 58 -14.833 6.814 0.110 1.00 0.00 C ATOM 814 C ARG A 58 -13.438 6.521 0.650 1.00 0.00 C ATOM 815 O ARG A 58 -12.856 5.472 0.361 1.00 0.00 O ATOM 816 CB ARG A 58 -15.901 6.087 0.939 1.00 0.00 C ATOM 817 CG ARG A 58 -15.740 4.575 1.009 1.00 0.00 C ATOM 818 CD ARG A 58 -16.823 3.939 1.869 1.00 0.00 C ATOM 819 NE ARG A 58 -16.942 4.604 3.165 1.00 0.00 N ATOM 820 CZ ARG A 58 -16.584 4.053 4.327 1.00 0.00 C ATOM 821 NH1 ARG A 58 -16.204 2.783 4.379 1.00 0.00 N ATOM 822 NH2 ARG A 58 -16.652 4.766 5.443 1.00 0.00 N ATOM 0 H ARG A 58 -14.800 5.444 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.021 7.885 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.887 6.486 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -16.882 6.314 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.780 4.157 0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.759 4.331 1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.778 3.987 1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.595 2.884 2.021 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.323 5.550 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.184 2.221 3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.932 2.368 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.977 5.732 5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.379 4.348 6.333 1.00 0.00 H new ATOM 836 N LEU A 59 -12.904 7.460 1.418 1.00 0.00 N ATOM 837 CA LEU A 59 -11.580 7.310 2.000 1.00 0.00 C ATOM 838 C LEU A 59 -11.690 6.616 3.346 1.00 0.00 C ATOM 839 O LEU A 59 -12.377 7.099 4.247 1.00 0.00 O ATOM 840 CB LEU A 59 -10.903 8.675 2.167 1.00 0.00 C ATOM 841 CG LEU A 59 -9.472 8.630 2.707 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.557 7.891 1.742 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.957 10.038 2.959 1.00 0.00 C ATOM 0 H LEU A 59 -13.370 8.336 1.653 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.970 6.705 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.894 9.179 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.509 9.284 2.838 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.478 8.089 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.544 7.870 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.916 6.870 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.554 8.402 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.938 9.989 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.967 10.601 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.596 10.534 3.689 1.00 0.00 H new ATOM 855 N VAL A 60 -11.034 5.477 3.470 1.00 0.00 N ATOM 856 CA VAL A 60 -11.068 4.719 4.710 1.00 0.00 C ATOM 857 C VAL A 60 -9.764 4.849 5.487 1.00 0.00 C ATOM 858 O VAL A 60 -9.777 5.067 6.700 1.00 0.00 O ATOM 859 CB VAL A 60 -11.391 3.227 4.464 1.00 0.00 C ATOM 860 CG1 VAL A 60 -12.877 3.043 4.214 1.00 0.00 C ATOM 861 CG2 VAL A 60 -10.599 2.676 3.287 1.00 0.00 C ATOM 0 H VAL A 60 -10.472 5.056 2.730 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.870 5.148 5.311 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.104 2.674 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -13.089 1.988 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.438 3.389 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.173 3.620 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.849 1.625 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.848 3.237 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.532 2.770 3.490 1.00 0.00 H new ATOM 871 N GLU A 61 -8.637 4.760 4.790 1.00 0.00 N ATOM 872 CA GLU A 61 -7.345 4.770 5.460 1.00 0.00 C ATOM 873 C GLU A 61 -6.381 5.724 4.765 1.00 0.00 C ATOM 874 O GLU A 61 -6.471 5.947 3.556 1.00 0.00 O ATOM 875 CB GLU A 61 -6.711 3.373 5.447 1.00 0.00 C ATOM 876 CG GLU A 61 -7.690 2.210 5.541 1.00 0.00 C ATOM 877 CD GLU A 61 -8.112 1.897 6.956 1.00 0.00 C ATOM 878 OE1 GLU A 61 -7.226 1.707 7.810 1.00 0.00 O ATOM 879 OE2 GLU A 61 -9.326 1.822 7.218 1.00 0.00 O ATOM 0 H GLU A 61 -8.592 4.681 3.774 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.520 5.093 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.131 3.264 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.009 3.303 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.575 2.440 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.233 1.323 5.101 1.00 0.00 H new ATOM 886 N VAL A 62 -5.445 6.262 5.535 1.00 0.00 N ATOM 887 CA VAL A 62 -4.364 7.071 4.994 1.00 0.00 C ATOM 888 C VAL A 62 -3.027 6.430 5.342 1.00 0.00 C ATOM 889 O VAL A 62 -2.683 6.301 6.514 1.00 0.00 O ATOM 890 CB VAL A 62 -4.389 8.523 5.529 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.167 9.298 5.050 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.663 9.238 5.102 1.00 0.00 C ATOM 0 H VAL A 62 -5.414 6.150 6.548 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.499 7.115 3.913 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.367 8.477 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.206 10.316 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.262 8.808 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.158 9.326 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.656 10.256 5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.718 9.265 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.529 8.705 5.496 1.00 0.00 H new ATOM 902 N ASN A 63 -2.311 5.983 4.314 1.00 0.00 N ATOM 903 CA ASN A 63 -0.976 5.394 4.468 1.00 0.00 C ATOM 904 C ASN A 63 -1.002 4.058 5.213 1.00 0.00 C ATOM 905 O ASN A 63 0.045 3.454 5.437 1.00 0.00 O ATOM 906 CB ASN A 63 -0.016 6.372 5.162 1.00 0.00 C ATOM 907 CG ASN A 63 0.505 7.438 4.215 1.00 0.00 C ATOM 908 OD1 ASN A 63 0.676 7.192 3.023 1.00 0.00 O ATOM 909 ND2 ASN A 63 0.758 8.632 4.733 1.00 0.00 N ATOM 0 H ASN A 63 -2.637 6.017 3.348 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.611 5.195 3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.529 6.850 5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.825 5.818 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.107 9.383 4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.604 8.800 5.727 1.00 0.00 H new ATOM 916 N GLY A 64 -2.191 3.589 5.575 1.00 0.00 N ATOM 917 CA GLY A 64 -2.306 2.298 6.228 1.00 0.00 C ATOM 918 C GLY A 64 -3.093 2.354 7.524 1.00 0.00 C ATOM 919 O GLY A 64 -3.436 1.319 8.091 1.00 0.00 O ATOM 0 H GLY A 64 -3.074 4.078 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.787 1.595 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.308 1.911 6.433 1.00 0.00 H new ATOM 923 N GLU A 65 -3.371 3.559 8.004 1.00 0.00 N ATOM 924 CA GLU A 65 -4.128 3.726 9.238 1.00 0.00 C ATOM 925 C GLU A 65 -5.496 4.334 8.949 1.00 0.00 C ATOM 926 O GLU A 65 -5.634 5.179 8.062 1.00 0.00 O ATOM 927 CB GLU A 65 -3.345 4.598 10.220 1.00 0.00 C ATOM 928 CG GLU A 65 -3.012 5.978 9.683 1.00 0.00 C ATOM 929 CD GLU A 65 -2.138 6.775 10.625 1.00 0.00 C ATOM 930 OE1 GLU A 65 -2.532 6.961 11.798 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.057 7.232 10.199 1.00 0.00 O ATOM 0 H GLU A 65 -3.085 4.432 7.560 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.282 2.746 9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.924 4.705 11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.419 4.088 10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.507 5.877 8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.937 6.526 9.501 1.00 0.00 H new ATOM 938 N ASN A 66 -6.503 3.898 9.696 1.00 0.00 N ATOM 939 CA ASN A 66 -7.882 4.315 9.449 1.00 0.00 C ATOM 940 C ASN A 66 -8.113 5.750 9.879 1.00 0.00 C ATOM 941 O ASN A 66 -7.692 6.163 10.964 1.00 0.00 O ATOM 942 CB ASN A 66 -8.863 3.404 10.184 1.00 0.00 C ATOM 943 CG ASN A 66 -10.311 3.749 9.890 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.932 4.537 10.601 1.00 0.00 O ATOM 945 ND2 ASN A 66 -10.853 3.178 8.830 1.00 0.00 N ATOM 0 H ASN A 66 -6.392 3.255 10.480 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.053 4.240 8.375 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.675 2.369 9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.687 3.477 11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.819 3.386 8.577 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.306 2.529 8.264 1.00 0.00 H new ATOM 952 N VAL A 67 -8.795 6.501 9.031 1.00 0.00 N ATOM 953 CA VAL A 67 -9.061 7.907 9.301 1.00 0.00 C ATOM 954 C VAL A 67 -10.560 8.210 9.344 1.00 0.00 C ATOM 955 O VAL A 67 -10.978 9.354 9.169 1.00 0.00 O ATOM 956 CB VAL A 67 -8.379 8.806 8.249 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.866 8.645 8.321 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.893 8.486 6.850 1.00 0.00 C ATOM 0 H VAL A 67 -9.176 6.161 8.148 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.645 8.124 10.285 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.627 9.845 8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.396 9.284 7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.517 8.930 9.314 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.601 7.606 8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.399 9.132 6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.679 7.444 6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.969 8.653 6.811 1.00 0.00 H new ATOM 968 N GLU A 68 -11.369 7.190 9.603 1.00 0.00 N ATOM 969 CA GLU A 68 -12.819 7.360 9.633 1.00 0.00 C ATOM 970 C GLU A 68 -13.284 7.996 10.936 1.00 0.00 C ATOM 971 O GLU A 68 -14.290 8.697 10.962 1.00 0.00 O ATOM 972 CB GLU A 68 -13.526 6.018 9.465 1.00 0.00 C ATOM 973 CG GLU A 68 -13.369 5.389 8.094 1.00 0.00 C ATOM 974 CD GLU A 68 -14.095 4.065 8.003 1.00 0.00 C ATOM 975 OE1 GLU A 68 -13.526 3.048 8.439 1.00 0.00 O ATOM 976 OE2 GLU A 68 -15.244 4.041 7.516 1.00 0.00 O ATOM 0 H GLU A 68 -11.049 6.241 9.795 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.075 8.020 8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.144 5.325 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.588 6.154 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.755 6.069 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.311 5.240 7.880 1.00 0.00 H new ATOM 983 N LYS A 69 -12.556 7.761 12.021 1.00 0.00 N ATOM 984 CA LYS A 69 -13.007 8.222 13.328 1.00 0.00 C ATOM 985 C LYS A 69 -12.417 9.593 13.642 1.00 0.00 C ATOM 986 O LYS A 69 -12.536 10.099 14.763 1.00 0.00 O ATOM 987 CB LYS A 69 -12.658 7.223 14.439 1.00 0.00 C ATOM 988 CG LYS A 69 -13.070 5.784 14.150 1.00 0.00 C ATOM 989 CD LYS A 69 -11.979 5.038 13.403 1.00 0.00 C ATOM 990 CE LYS A 69 -12.253 3.541 13.319 1.00 0.00 C ATOM 991 NZ LYS A 69 -13.334 3.212 12.350 1.00 0.00 N ATOM 0 H LYS A 69 -11.666 7.263 12.024 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.093 8.303 13.289 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.582 7.252 14.611 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.137 7.546 15.363 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.289 5.271 15.086 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.987 5.777 13.561 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.888 5.445 12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.023 5.203 13.901 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.339 3.024 13.028 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.529 3.170 14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.002 2.545 12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.838 4.082 12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.919 2.778 11.501 1.00 0.00 H new ATOM 1005 N GLU A 70 -11.791 10.191 12.639 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.220 11.525 12.767 1.00 0.00 C ATOM 1007 C GLU A 70 -12.312 12.575 12.570 1.00 0.00 C ATOM 1008 O GLU A 70 -13.499 12.279 12.699 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.127 11.725 11.716 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.074 10.629 11.691 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.288 10.529 12.978 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -7.341 11.322 13.162 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -8.596 9.650 13.806 1.00 0.00 O ATOM 0 H GLU A 70 -11.665 9.769 11.719 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.788 11.633 13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.592 11.788 10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.635 12.681 11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.559 9.673 11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.386 10.814 10.866 1.00 0.00 H new ATOM 1020 N THR A 71 -11.914 13.804 12.279 1.00 0.00 N ATOM 1021 CA THR A 71 -12.862 14.825 11.872 1.00 0.00 C ATOM 1022 C THR A 71 -12.635 15.137 10.402 1.00 0.00 C ATOM 1023 O THR A 71 -11.594 14.763 9.857 1.00 0.00 O ATOM 1024 CB THR A 71 -12.719 16.122 12.700 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.507 16.803 12.350 1.00 0.00 O ATOM 1026 CG2 THR A 71 -12.709 15.820 14.192 1.00 0.00 C ATOM 0 H THR A 71 -10.944 14.116 12.317 1.00 0.00 H new ATOM 0 HA THR A 71 -13.868 14.442 12.042 1.00 0.00 H new ATOM 0 HB THR A 71 -13.576 16.757 12.474 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.428 17.624 12.880 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.607 16.750 14.751 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.642 15.330 14.470 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.871 15.163 14.425 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.574 15.817 9.755 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.427 16.134 8.336 1.00 0.00 C ATOM 1036 C HIS A 72 -12.122 16.892 8.099 1.00 0.00 C ATOM 1037 O HIS A 72 -11.389 16.605 7.151 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.623 16.952 7.833 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.529 17.329 6.385 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.671 16.419 5.355 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -14.293 18.525 5.797 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -14.525 17.042 4.200 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -14.296 18.319 4.441 1.00 0.00 N ATOM 0 H HIS A 72 -14.436 16.157 10.182 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.397 15.200 7.775 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.536 16.379 7.991 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.708 17.859 8.431 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.859 15.423 5.469 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.132 19.466 6.302 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.583 16.584 3.224 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.145 19.037 3.733 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.834 17.838 8.982 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.592 18.598 8.927 1.00 0.00 C ATOM 1054 C GLN A 73 -9.381 17.681 9.057 1.00 0.00 C ATOM 1055 O GLN A 73 -8.434 17.774 8.277 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.564 19.635 10.049 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.246 20.388 10.164 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.166 21.226 11.423 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -9.564 22.388 11.437 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -8.645 20.643 12.492 1.00 0.00 N ATOM 0 H GLN A 73 -12.450 18.099 9.752 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.547 19.099 7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.368 20.353 9.886 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.769 19.136 10.996 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.422 19.675 10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.122 21.032 9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.326 19.676 12.441 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.563 21.161 13.367 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.424 16.784 10.036 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.292 15.913 10.318 1.00 0.00 C ATOM 1071 C GLN A 74 -8.041 14.944 9.172 1.00 0.00 C ATOM 1072 O GLN A 74 -6.894 14.634 8.862 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.505 15.152 11.627 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.578 16.054 12.851 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.282 16.801 13.124 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.500 17.083 12.217 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.060 17.148 14.378 1.00 0.00 N ATOM 0 H GLN A 74 -10.229 16.642 10.646 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.409 16.543 10.425 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.427 14.575 11.556 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.691 14.439 11.760 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.384 16.775 12.715 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.833 15.452 13.723 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.732 16.896 15.103 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.217 17.668 14.622 1.00 0.00 H new ATOM 1086 N VAL A 75 -9.112 14.481 8.536 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.994 13.596 7.381 1.00 0.00 C ATOM 1088 C VAL A 75 -8.242 14.289 6.251 1.00 0.00 C ATOM 1089 O VAL A 75 -7.307 13.730 5.677 1.00 0.00 O ATOM 1090 CB VAL A 75 -10.376 13.135 6.871 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -10.239 12.253 5.635 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -11.127 12.400 7.969 1.00 0.00 C ATOM 0 H VAL A 75 -10.072 14.703 8.800 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.437 12.717 7.705 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.946 14.021 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.228 11.943 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.744 12.813 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.647 11.372 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -12.100 12.081 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.554 11.527 8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.267 13.064 8.822 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.641 15.520 5.952 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.981 16.305 4.916 1.00 0.00 C ATOM 1104 C VAL A 76 -6.537 16.605 5.316 1.00 0.00 C ATOM 1105 O VAL A 76 -5.624 16.576 4.486 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.738 17.627 4.654 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -8.081 18.434 3.546 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.192 17.349 4.310 1.00 0.00 C ATOM 0 H VAL A 76 -9.417 15.995 6.412 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.984 15.718 3.998 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.698 18.218 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.639 19.357 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.056 18.674 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.076 17.851 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.710 18.291 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.242 16.729 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.669 16.827 5.140 1.00 0.00 H new ATOM 1118 N SER A 77 -6.339 16.872 6.601 1.00 0.00 N ATOM 1119 CA SER A 77 -5.018 17.158 7.144 1.00 0.00 C ATOM 1120 C SER A 77 -4.082 15.956 7.005 1.00 0.00 C ATOM 1121 O SER A 77 -2.878 16.125 6.808 1.00 0.00 O ATOM 1122 CB SER A 77 -5.134 17.581 8.605 1.00 0.00 C ATOM 1123 OG SER A 77 -5.988 18.707 8.743 1.00 0.00 O ATOM 0 H SER A 77 -7.087 16.896 7.294 1.00 0.00 H new ATOM 0 HA SER A 77 -4.586 17.978 6.569 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.521 16.752 9.198 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.146 17.820 8.998 1.00 0.00 H new ATOM 0 HG SER A 77 -6.921 18.424 8.645 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.638 14.747 7.106 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.858 13.521 6.951 1.00 0.00 C ATOM 1131 C ARG A 78 -3.178 13.493 5.589 1.00 0.00 C ATOM 1132 O ARG A 78 -1.989 13.195 5.475 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.771 12.298 7.068 1.00 0.00 C ATOM 1134 CG ARG A 78 -5.386 12.103 8.439 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.377 11.546 9.424 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.014 11.128 10.672 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.621 10.072 11.380 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -3.557 9.377 11.006 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.288 9.718 12.469 1.00 0.00 N ATOM 0 H ARG A 78 -5.628 14.592 7.295 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.103 13.497 7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.572 12.386 6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.199 11.407 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.768 13.055 8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.237 11.425 8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.862 10.696 8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.621 12.301 9.637 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.802 11.675 11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.036 9.651 10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.259 8.568 11.551 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.103 10.255 12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.986 8.908 13.011 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.951 13.815 4.566 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.470 13.808 3.196 1.00 0.00 C ATOM 1155 C ILE A 79 -2.490 14.959 2.958 1.00 0.00 C ATOM 1156 O ILE A 79 -1.481 14.803 2.267 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.651 13.912 2.206 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.758 12.931 2.606 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.183 13.629 0.784 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.006 13.037 1.758 1.00 0.00 C ATOM 0 H ILE A 79 -4.929 14.088 4.662 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.949 12.865 3.028 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.048 14.927 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.371 11.914 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.023 13.103 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.028 13.707 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.420 14.354 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.765 12.623 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.743 12.311 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.419 14.042 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.756 12.834 0.716 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.783 16.109 3.554 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.950 17.302 3.393 1.00 0.00 C ATOM 1174 C ARG A 80 -0.612 17.162 4.115 1.00 0.00 C ATOM 1175 O ARG A 80 0.371 17.797 3.739 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.684 18.546 3.896 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.834 18.968 3.001 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.505 20.230 3.510 1.00 0.00 C ATOM 1179 NE ARG A 80 -5.555 20.691 2.603 1.00 0.00 N ATOM 1180 CZ ARG A 80 -6.399 21.686 2.880 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -6.331 22.311 4.046 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -7.318 22.042 1.989 1.00 0.00 N ATOM 0 H ARG A 80 -3.595 16.244 4.157 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.748 17.411 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.065 18.354 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.975 19.370 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.466 19.134 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.567 18.163 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.932 20.042 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.759 21.015 3.631 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.648 20.222 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.632 22.032 4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.978 23.072 4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.377 21.555 1.095 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.964 22.803 2.199 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.581 16.321 5.143 1.00 0.00 N ATOM 1197 CA ALA A 81 0.619 16.132 5.954 1.00 0.00 C ATOM 1198 C ALA A 81 1.732 15.446 5.169 1.00 0.00 C ATOM 1199 O ALA A 81 2.880 15.388 5.617 1.00 0.00 O ATOM 1200 CB ALA A 81 0.286 15.330 7.202 1.00 0.00 C ATOM 0 H ALA A 81 -1.378 15.756 5.437 1.00 0.00 H new ATOM 0 HA ALA A 81 0.981 17.119 6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.188 15.195 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.461 15.864 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.108 14.355 6.914 1.00 0.00 H new ATOM 1206 N ALA A 82 1.386 14.920 4.005 1.00 0.00 N ATOM 1207 CA ALA A 82 2.349 14.237 3.160 1.00 0.00 C ATOM 1208 C ALA A 82 3.124 15.231 2.305 1.00 0.00 C ATOM 1209 O ALA A 82 2.549 16.115 1.667 1.00 0.00 O ATOM 1210 CB ALA A 82 1.648 13.221 2.280 1.00 0.00 C ATOM 0 H ALA A 82 0.441 14.954 3.624 1.00 0.00 H new ATOM 0 HA ALA A 82 3.058 13.716 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.382 12.716 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.140 12.487 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.918 13.728 1.649 1.00 0.00 H new ATOM 1216 N LEU A 83 4.440 15.074 2.307 1.00 0.00 N ATOM 1217 CA LEU A 83 5.324 15.946 1.551 1.00 0.00 C ATOM 1218 C LEU A 83 5.211 15.673 0.056 1.00 0.00 C ATOM 1219 O LEU A 83 4.793 16.537 -0.712 1.00 0.00 O ATOM 1220 CB LEU A 83 6.771 15.748 2.002 1.00 0.00 C ATOM 1221 CG LEU A 83 7.029 15.996 3.490 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.460 15.623 3.847 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.746 17.448 3.848 1.00 0.00 C ATOM 0 H LEU A 83 4.922 14.343 2.830 1.00 0.00 H new ATOM 0 HA LEU A 83 5.024 16.977 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.073 14.729 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.410 16.415 1.423 1.00 0.00 H new ATOM 0 HG LEU A 83 6.354 15.366 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.629 15.805 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.626 14.568 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.151 16.229 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.935 17.604 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.395 18.100 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.704 17.681 3.627 1.00 0.00 H new ATOM 1235 N ASN A 84 5.577 14.463 -0.343 1.00 0.00 N ATOM 1236 CA ASN A 84 5.575 14.090 -1.753 1.00 0.00 C ATOM 1237 C ASN A 84 4.451 13.110 -2.063 1.00 0.00 C ATOM 1238 O ASN A 84 3.545 13.423 -2.828 1.00 0.00 O ATOM 1239 CB ASN A 84 6.922 13.473 -2.140 1.00 0.00 C ATOM 1240 CG ASN A 84 6.924 12.855 -3.530 1.00 0.00 C ATOM 1241 OD1 ASN A 84 7.547 11.815 -3.750 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.273 13.501 -4.486 1.00 0.00 N ATOM 0 H ASN A 84 5.879 13.722 0.289 1.00 0.00 H new ATOM 0 HA ASN A 84 5.411 14.995 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.693 14.242 -2.091 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.187 12.708 -1.410 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.277 13.140 -5.440 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.767 14.360 -4.268 1.00 0.00 H new ATOM 1249 N ALA A 85 4.509 11.930 -1.461 1.00 0.00 N ATOM 1250 CA ALA A 85 3.558 10.879 -1.777 1.00 0.00 C ATOM 1251 C ALA A 85 2.816 10.414 -0.535 1.00 0.00 C ATOM 1252 O ALA A 85 3.393 10.313 0.549 1.00 0.00 O ATOM 1253 CB ALA A 85 4.267 9.704 -2.439 1.00 0.00 C ATOM 0 H ALA A 85 5.201 11.679 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 85 2.826 11.289 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.541 8.924 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.745 10.039 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.023 9.307 -1.762 1.00 0.00 H new ATOM 1259 N VAL A 86 1.536 10.145 -0.708 1.00 0.00 N ATOM 1260 CA VAL A 86 0.697 9.611 0.352 1.00 0.00 C ATOM 1261 C VAL A 86 -0.177 8.490 -0.209 1.00 0.00 C ATOM 1262 O VAL A 86 -0.678 8.589 -1.329 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.178 10.725 0.984 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -0.926 11.512 -0.082 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.147 10.151 2.008 1.00 0.00 C ATOM 0 H VAL A 86 1.045 10.291 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 86 1.335 9.209 1.139 1.00 0.00 H new ATOM 0 HB VAL A 86 0.492 11.412 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.530 12.285 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.210 11.977 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.574 10.839 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.746 10.956 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.803 9.428 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.587 9.657 2.802 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.326 7.413 0.546 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.110 6.276 0.089 1.00 0.00 C ATOM 1277 C ARG A 87 -2.559 6.413 0.542 1.00 0.00 C ATOM 1278 O ARG A 87 -2.866 6.285 1.725 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.521 4.964 0.620 1.00 0.00 C ATOM 1280 CG ARG A 87 0.968 4.803 0.353 1.00 0.00 C ATOM 1281 CD ARG A 87 1.448 3.394 0.676 1.00 0.00 C ATOM 1282 NE ARG A 87 1.154 3.000 2.058 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.997 1.731 2.448 1.00 0.00 C ATOM 1284 NH1 ARG A 87 1.166 0.745 1.574 1.00 0.00 N ATOM 1285 NH2 ARG A 87 0.692 1.448 3.711 1.00 0.00 N ATOM 0 H ARG A 87 0.083 7.302 1.474 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.079 6.258 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.695 4.908 1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.054 4.128 0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.177 5.028 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.525 5.524 0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.976 2.688 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.523 3.332 0.506 1.00 0.00 H new ATOM 0 HE ARG A 87 1.064 3.735 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.415 0.957 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.047 -0.224 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.576 2.201 4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.574 0.478 4.002 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.441 6.672 -0.406 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.859 6.830 -0.120 1.00 0.00 C ATOM 1301 C LEU A 88 -5.592 5.528 -0.404 1.00 0.00 C ATOM 1302 O LEU A 88 -5.647 5.084 -1.548 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.471 7.953 -0.979 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.062 9.393 -0.628 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.398 9.714 0.816 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -3.590 9.631 -0.890 1.00 0.00 C ATOM 0 H LEU A 88 -3.199 6.779 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.966 7.094 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.205 7.768 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.556 7.881 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.632 10.060 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.099 10.738 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.471 9.607 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.865 9.028 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.336 10.659 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.997 8.947 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.376 9.459 -1.945 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.142 4.902 0.621 1.00 0.00 N ATOM 1319 CA LEU A 89 -6.900 3.685 0.404 1.00 0.00 C ATOM 1320 C LEU A 89 -8.354 4.056 0.181 1.00 0.00 C ATOM 1321 O LEU A 89 -9.004 4.615 1.071 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.785 2.726 1.589 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.186 1.281 1.276 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.004 0.502 0.719 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.745 0.598 2.506 1.00 0.00 C ATOM 0 H LEU A 89 -6.080 5.208 1.592 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.495 3.173 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.756 2.735 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.410 3.096 2.402 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.967 1.304 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.312 -0.521 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.655 0.977 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.197 0.492 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.023 -0.427 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.990 0.590 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.625 1.138 2.854 1.00 0.00 H new ATOM 1337 N VAL A 90 -8.864 3.746 -0.997 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.210 4.150 -1.365 1.00 0.00 C ATOM 1339 C VAL A 90 -11.011 2.964 -1.871 1.00 0.00 C ATOM 1340 O VAL A 90 -10.455 1.993 -2.392 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.207 5.271 -2.436 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.660 6.566 -1.852 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.405 4.863 -3.670 1.00 0.00 C ATOM 0 H VAL A 90 -8.368 3.217 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.679 4.544 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.239 5.434 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.665 7.341 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.283 6.879 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.639 6.406 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.424 5.672 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.374 4.658 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.844 3.967 -4.109 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.316 3.040 -1.699 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.206 1.989 -2.148 1.00 0.00 C ATOM 1355 C VAL A 91 -14.547 2.588 -2.549 1.00 0.00 C ATOM 1356 O VAL A 91 -14.965 3.614 -2.002 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.400 0.915 -1.046 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.051 1.508 0.197 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.206 -0.265 -1.571 1.00 0.00 C ATOM 0 H VAL A 91 -12.786 3.825 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.758 1.501 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.413 0.551 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.173 0.730 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.419 2.302 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.027 1.917 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.328 -1.004 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.186 0.081 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.682 -0.718 -2.412 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.197 1.969 -3.522 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.523 2.386 -3.951 1.00 0.00 C ATOM 1371 C ASP A 92 -17.510 2.115 -2.826 1.00 0.00 C ATOM 1372 O ASP A 92 -17.544 1.014 -2.286 1.00 0.00 O ATOM 1373 CB ASP A 92 -16.963 1.602 -5.194 1.00 0.00 C ATOM 1374 CG ASP A 92 -15.799 1.061 -6.001 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -15.202 0.051 -5.576 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -15.488 1.624 -7.071 1.00 0.00 O ATOM 0 H ASP A 92 -14.824 1.169 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.497 3.448 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.600 0.773 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -17.567 2.250 -5.829 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.322 3.120 -2.460 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.309 2.995 -1.381 1.00 0.00 C ATOM 1383 C PRO A 93 -20.300 1.869 -1.645 1.00 0.00 C ATOM 1384 O PRO A 93 -20.811 1.247 -0.717 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.023 4.349 -1.381 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.081 5.281 -2.060 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.345 4.456 -3.073 1.00 0.00 C ATOM 0 HA PRO A 93 -18.842 2.753 -0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -20.974 4.294 -1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.242 4.680 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.619 6.099 -2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.391 5.728 -1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -18.856 4.449 -4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.339 4.836 -3.249 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.555 1.613 -2.922 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.423 0.519 -3.329 1.00 0.00 C ATOM 1397 C GLU A 94 -20.744 -0.817 -3.039 1.00 0.00 C ATOM 1398 O GLU A 94 -21.370 -1.750 -2.537 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.756 0.617 -4.825 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.504 1.885 -5.234 1.00 0.00 C ATOM 1401 CD GLU A 94 -21.649 3.137 -5.163 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -20.735 3.291 -6.004 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -21.874 3.961 -4.253 1.00 0.00 O ATOM 0 H GLU A 94 -20.170 2.153 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.351 0.586 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.828 0.560 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.356 -0.248 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -22.877 1.766 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.373 2.010 -4.588 1.00 0.00 H new ATOM 1410 N THR A 95 -19.455 -0.892 -3.355 1.00 0.00 N ATOM 1411 CA THR A 95 -18.667 -2.093 -3.129 1.00 0.00 C ATOM 1412 C THR A 95 -18.415 -2.293 -1.635 1.00 0.00 C ATOM 1413 O THR A 95 -18.323 -3.422 -1.158 1.00 0.00 O ATOM 1414 CB THR A 95 -17.317 -2.008 -3.870 1.00 0.00 C ATOM 1415 OG1 THR A 95 -17.530 -1.566 -5.217 1.00 0.00 O ATOM 1416 CG2 THR A 95 -16.614 -3.358 -3.891 1.00 0.00 C ATOM 0 H THR A 95 -18.931 -0.123 -3.773 1.00 0.00 H new ATOM 0 HA THR A 95 -19.231 -2.942 -3.516 1.00 0.00 H new ATOM 0 HB THR A 95 -16.685 -1.296 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.704 -1.678 -5.733 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.665 -3.266 -4.420 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.429 -3.688 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.244 -4.088 -4.399 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.339 -1.181 -0.906 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.084 -1.197 0.537 1.00 0.00 C ATOM 1426 C ASP A 96 -19.156 -2.007 1.258 1.00 0.00 C ATOM 1427 O ASP A 96 -18.876 -2.695 2.240 1.00 0.00 O ATOM 1428 CB ASP A 96 -18.057 0.239 1.078 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.686 0.322 2.550 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -18.587 0.201 3.407 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -16.494 0.544 2.851 1.00 0.00 O ATOM 0 H ASP A 96 -18.452 -0.245 -1.296 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.116 -1.665 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.344 0.825 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -19.037 0.693 0.932 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.373 -1.940 0.733 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.498 -2.704 1.260 1.00 0.00 C ATOM 1438 C GLU A 97 -21.194 -4.203 1.229 1.00 0.00 C ATOM 1439 O GLU A 97 -21.466 -4.927 2.187 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.748 -2.403 0.430 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.182 -0.948 0.493 1.00 0.00 C ATOM 1442 CD GLU A 97 -24.163 -0.584 -0.601 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.127 -1.347 -0.827 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -23.985 0.475 -1.236 1.00 0.00 O ATOM 0 H GLU A 97 -20.608 -1.355 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.670 -2.413 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.558 -2.673 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -23.566 -3.033 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.637 -0.750 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -22.304 -0.307 0.416 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.631 -4.659 0.120 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.236 -6.054 -0.023 1.00 0.00 C ATOM 1453 C GLN A 98 -19.002 -6.361 0.828 1.00 0.00 C ATOM 1454 O GLN A 98 -18.923 -7.412 1.470 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.959 -6.377 -1.497 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.618 -7.837 -1.758 1.00 0.00 C ATOM 1457 CD GLN A 98 -20.746 -8.780 -1.389 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -21.619 -9.072 -2.206 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -20.735 -9.265 -0.156 1.00 0.00 N ATOM 0 H GLN A 98 -20.436 -4.081 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.056 -6.680 0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.835 -6.108 -2.088 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.135 -5.754 -1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -19.374 -7.965 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -18.727 -8.104 -1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -19.993 -8.998 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -21.469 -9.906 0.147 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.055 -5.428 0.835 1.00 0.00 N ATOM 1469 CA LEU A 99 -16.759 -5.632 1.485 1.00 0.00 C ATOM 1470 C LEU A 99 -16.898 -5.758 2.998 1.00 0.00 C ATOM 1471 O LEU A 99 -16.267 -6.617 3.619 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.802 -4.484 1.165 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.531 -4.232 -0.320 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.158 -3.628 -0.488 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.651 -5.508 -1.135 1.00 0.00 C ATOM 0 H LEU A 99 -18.160 -4.514 0.394 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.354 -6.565 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.204 -3.570 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.851 -4.681 1.659 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.283 -3.536 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.966 -3.449 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.107 -2.684 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.408 -4.314 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.452 -5.290 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.929 -6.240 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.658 -5.911 -1.033 1.00 0.00 H new ATOM 1487 N GLN A 100 -17.723 -4.900 3.587 1.00 0.00 N ATOM 1488 CA GLN A 100 -17.913 -4.884 5.033 1.00 0.00 C ATOM 1489 C GLN A 100 -18.444 -6.227 5.535 1.00 0.00 C ATOM 1490 O GLN A 100 -18.124 -6.657 6.641 1.00 0.00 O ATOM 1491 CB GLN A 100 -18.844 -3.738 5.447 1.00 0.00 C ATOM 1492 CG GLN A 100 -20.272 -3.874 4.943 1.00 0.00 C ATOM 1493 CD GLN A 100 -21.102 -2.626 5.183 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -20.473 -1.463 5.099 1.00 0.00 O flip ATOM 1495 NE2 GLN A 100 -22.308 -2.706 5.412 1.00 0.00 N flip ATOM 0 H GLN A 100 -18.273 -4.204 3.084 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.941 -4.716 5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -18.860 -3.675 6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -18.430 -2.799 5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -20.256 -4.095 3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -20.748 -4.722 5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -22.757 -3.620 5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -22.859 -1.858 5.545 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.261 -6.881 4.713 1.00 0.00 N ATOM 1505 CA LYS A 101 -19.820 -8.186 5.057 1.00 0.00 C ATOM 1506 C LYS A 101 -18.751 -9.277 5.058 1.00 0.00 C ATOM 1507 O LYS A 101 -18.943 -10.342 5.647 1.00 0.00 O ATOM 1508 CB LYS A 101 -20.954 -8.555 4.097 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.251 -7.829 4.397 1.00 0.00 C ATOM 1510 CD LYS A 101 -22.721 -8.135 5.807 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.055 -7.485 6.116 1.00 0.00 C ATOM 1512 NZ LYS A 101 -24.498 -7.779 7.503 1.00 0.00 N ATOM 0 H LYS A 101 -19.551 -6.527 3.801 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.221 -8.113 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.646 -8.328 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.127 -9.630 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.108 -6.755 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -23.016 -8.128 3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -22.806 -9.214 5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -21.975 -7.787 6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -23.975 -6.406 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -24.806 -7.841 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.414 -7.319 7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.598 -8.807 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -23.793 -7.417 8.177 1.00 0.00 H new ATOM 1526 N LEU A 102 -17.634 -9.018 4.390 1.00 0.00 N ATOM 1527 CA LEU A 102 -16.536 -9.971 4.364 1.00 0.00 C ATOM 1528 C LEU A 102 -15.607 -9.724 5.545 1.00 0.00 C ATOM 1529 O LEU A 102 -15.248 -10.643 6.279 1.00 0.00 O ATOM 1530 CB LEU A 102 -15.761 -9.887 3.044 1.00 0.00 C ATOM 1531 CG LEU A 102 -16.614 -10.009 1.776 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -15.728 -10.119 0.548 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -17.552 -11.203 1.863 1.00 0.00 C ATOM 0 H LEU A 102 -17.467 -8.161 3.863 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.951 -10.976 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.228 -8.936 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.008 -10.675 3.033 1.00 0.00 H new ATOM 0 HG LEU A 102 -17.220 -9.107 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.350 -10.205 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -15.103 -9.230 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -15.094 -11.002 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -18.146 -11.267 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.969 -12.116 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -18.215 -11.083 2.720 1.00 0.00 H new ATOM 1545 N GLY A 103 -15.243 -8.453 5.721 1.00 0.00 N ATOM 1546 CA GLY A 103 -14.533 -8.010 6.914 1.00 0.00 C ATOM 1547 C GLY A 103 -13.174 -8.653 7.109 1.00 0.00 C ATOM 1548 O GLY A 103 -12.639 -8.639 8.221 1.00 0.00 O ATOM 0 H GLY A 103 -15.431 -7.711 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.406 -6.928 6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.150 -8.220 7.788 1.00 0.00 H new ATOM 1552 N VAL A 104 -12.608 -9.210 6.047 1.00 0.00 N ATOM 1553 CA VAL A 104 -11.304 -9.858 6.137 1.00 0.00 C ATOM 1554 C VAL A 104 -10.181 -8.824 6.167 1.00 0.00 C ATOM 1555 O VAL A 104 -10.409 -7.628 5.961 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.058 -10.841 4.968 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -12.227 -11.801 4.808 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -10.781 -10.094 3.669 1.00 0.00 C ATOM 0 H VAL A 104 -13.027 -9.227 5.117 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.305 -10.425 7.068 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.172 -11.429 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.029 -12.481 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.355 -12.375 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.136 -11.236 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.612 -10.811 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.637 -9.466 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -9.896 -9.470 3.790 1.00 0.00 H new ATOM 1568 N GLN A 105 -8.970 -9.305 6.423 1.00 0.00 N ATOM 1569 CA GLN A 105 -7.777 -8.468 6.493 1.00 0.00 C ATOM 1570 C GLN A 105 -7.333 -8.010 5.104 1.00 0.00 C ATOM 1571 O GLN A 105 -6.213 -8.275 4.670 1.00 0.00 O ATOM 1572 CB GLN A 105 -6.655 -9.248 7.168 1.00 0.00 C ATOM 1573 CG GLN A 105 -6.882 -9.471 8.653 1.00 0.00 C ATOM 1574 CD GLN A 105 -6.022 -10.585 9.210 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -4.890 -10.364 9.636 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -6.560 -11.794 9.209 1.00 0.00 N ATOM 0 H GLN A 105 -8.786 -10.294 6.589 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.014 -7.578 7.075 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -6.548 -10.214 6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.716 -8.713 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.669 -8.548 9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.932 -9.706 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.503 -11.932 8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.032 -12.588 9.572 1.00 0.00 H new ATOM 1585 N VAL A 106 -8.227 -7.326 4.416 1.00 0.00 N ATOM 1586 CA VAL A 106 -7.952 -6.800 3.086 1.00 0.00 C ATOM 1587 C VAL A 106 -7.200 -5.473 3.177 1.00 0.00 C ATOM 1588 O VAL A 106 -6.842 -4.871 2.165 1.00 0.00 O ATOM 1589 CB VAL A 106 -9.263 -6.604 2.294 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -10.051 -5.416 2.829 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -8.984 -6.450 0.807 1.00 0.00 C ATOM 0 H VAL A 106 -9.164 -7.118 4.760 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.329 -7.524 2.561 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.873 -7.497 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.970 -5.300 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.298 -5.585 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.450 -4.511 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.924 -6.313 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.345 -5.582 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.483 -7.344 0.436 1.00 0.00 H new ATOM 1601 N ARG A 107 -6.939 -5.045 4.408 1.00 0.00 N ATOM 1602 CA ARG A 107 -6.423 -3.708 4.674 1.00 0.00 C ATOM 1603 C ARG A 107 -5.064 -3.507 4.009 1.00 0.00 C ATOM 1604 O ARG A 107 -4.840 -2.503 3.338 1.00 0.00 O ATOM 1605 CB ARG A 107 -6.304 -3.520 6.188 1.00 0.00 C ATOM 1606 CG ARG A 107 -6.336 -2.075 6.643 1.00 0.00 C ATOM 1607 CD ARG A 107 -6.336 -1.989 8.162 1.00 0.00 C ATOM 1608 NE ARG A 107 -7.020 -0.794 8.631 1.00 0.00 N ATOM 1609 CZ ARG A 107 -7.826 -0.754 9.687 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -7.952 -1.807 10.486 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -8.492 0.356 9.948 1.00 0.00 N ATOM 0 H ARG A 107 -7.078 -5.612 5.244 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.108 -2.968 4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.117 -4.059 6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.373 -3.974 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.472 -1.544 6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.224 -1.583 6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.821 -2.873 8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.309 -1.988 8.527 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.871 0.073 8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.427 -2.660 10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.574 -1.763 11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.385 1.170 9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.114 0.400 10.755 1.00 0.00 H new ATOM 1625 N GLU A 108 -4.174 -4.477 4.183 1.00 0.00 N ATOM 1626 CA GLU A 108 -2.892 -4.480 3.484 1.00 0.00 C ATOM 1627 C GLU A 108 -2.457 -5.907 3.162 1.00 0.00 C ATOM 1628 O GLU A 108 -1.746 -6.135 2.189 1.00 0.00 O ATOM 1629 CB GLU A 108 -1.803 -3.774 4.302 1.00 0.00 C ATOM 1630 CG GLU A 108 -1.994 -2.267 4.416 1.00 0.00 C ATOM 1631 CD GLU A 108 -0.875 -1.601 5.189 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -0.876 -1.688 6.436 1.00 0.00 O ATOM 1633 OE2 GLU A 108 0.021 -1.003 4.553 1.00 0.00 O ATOM 0 H GLU A 108 -4.316 -5.274 4.804 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.028 -3.930 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.779 -4.204 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.833 -3.974 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.050 -1.834 3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.945 -2.060 4.907 1.00 0.00 H new ATOM 1640 N GLU A 109 -2.896 -6.864 3.977 1.00 0.00 N ATOM 1641 CA GLU A 109 -2.564 -8.276 3.769 1.00 0.00 C ATOM 1642 C GLU A 109 -2.973 -8.744 2.369 1.00 0.00 C ATOM 1643 O GLU A 109 -2.176 -9.344 1.646 1.00 0.00 O ATOM 1644 CB GLU A 109 -3.247 -9.131 4.845 1.00 0.00 C ATOM 1645 CG GLU A 109 -3.110 -10.635 4.644 1.00 0.00 C ATOM 1646 CD GLU A 109 -1.672 -11.108 4.632 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -1.035 -11.122 5.705 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -1.171 -11.472 3.546 1.00 0.00 O ATOM 0 H GLU A 109 -3.485 -6.688 4.791 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.483 -8.392 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.830 -8.869 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.307 -8.877 4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.649 -11.151 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.585 -10.914 3.703 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.208 -8.457 1.984 1.00 0.00 N ATOM 1656 CA LEU A 110 -4.692 -8.819 0.656 1.00 0.00 C ATOM 1657 C LEU A 110 -4.055 -7.911 -0.395 1.00 0.00 C ATOM 1658 O LEU A 110 -3.659 -8.368 -1.465 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.227 -8.725 0.612 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.921 -9.285 -0.645 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -6.814 -8.324 -1.822 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.344 -10.642 -1.017 1.00 0.00 C ATOM 0 H LEU A 110 -4.892 -7.977 2.568 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.408 -9.848 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.625 -9.249 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.506 -7.677 0.716 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.978 -9.405 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.315 -8.754 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.287 -7.377 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.764 -8.153 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.847 -11.020 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.278 -10.541 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.493 -11.339 -0.192 1.00 0.00 H new ATOM 1850 N THR B 3 -14.198 20.480 -0.040 1.00 0.00 N ATOM 1851 CA THR B 3 -12.856 20.750 0.442 1.00 0.00 C ATOM 1852 C THR B 3 -11.832 20.346 -0.609 1.00 0.00 C ATOM 1853 O THR B 3 -11.776 19.184 -1.016 1.00 0.00 O ATOM 1854 CB THR B 3 -12.583 19.997 1.758 1.00 0.00 C ATOM 1855 OG1 THR B 3 -13.635 20.277 2.695 1.00 0.00 O ATOM 1856 CG2 THR B 3 -11.244 20.408 2.356 1.00 0.00 C ATOM 0 HA THR B 3 -12.771 21.820 0.634 1.00 0.00 H new ATOM 0 HB THR B 3 -12.549 18.929 1.544 1.00 0.00 H new ATOM 0 HG1 THR B 3 -14.486 20.359 2.216 1.00 0.00 H new ATOM 0 HG21 THR B 3 -11.077 19.861 3.284 1.00 0.00 H new ATOM 0 HG22 THR B 3 -10.445 20.179 1.651 1.00 0.00 H new ATOM 0 HG23 THR B 3 -11.251 21.478 2.562 1.00 0.00 H new ATOM 1864 N ARG B 4 -11.042 21.308 -1.063 1.00 0.00 N ATOM 1865 CA ARG B 4 -10.074 21.054 -2.118 1.00 0.00 C ATOM 1866 C ARG B 4 -8.745 20.595 -1.532 1.00 0.00 C ATOM 1867 O ARG B 4 -8.249 21.163 -0.555 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.860 22.311 -2.966 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.147 22.046 -4.286 1.00 0.00 C ATOM 1870 CD ARG B 4 -7.932 22.945 -4.458 1.00 0.00 C ATOM 1871 NE ARG B 4 -6.832 22.550 -3.582 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.220 23.368 -2.728 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -6.601 24.632 -2.604 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.215 22.912 -1.995 1.00 0.00 N ATOM 0 H ARG B 4 -11.052 22.268 -0.718 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.470 20.261 -2.753 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.828 22.769 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.282 23.033 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -8.837 21.002 -4.329 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.839 22.207 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -7.600 22.911 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -8.212 23.977 -4.246 1.00 0.00 H new ATOM 0 HE ARG B 4 -6.511 21.583 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.373 24.990 -3.167 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -6.122 25.247 -1.945 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -4.916 21.941 -2.087 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -4.740 23.532 -1.338 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.192 19.553 -2.120 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.892 19.051 -1.731 1.00 0.00 C ATOM 1890 C LEU B 5 -5.899 19.243 -2.865 1.00 0.00 C ATOM 1891 O LEU B 5 -5.227 20.294 -2.896 1.00 0.00 O ATOM 1892 CB LEU B 5 -7.002 17.579 -1.341 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.368 17.341 0.121 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -8.140 16.046 0.282 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -6.108 17.307 0.965 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.814 18.358 -3.734 1.00 0.00 O ATOM 0 H LEU B 5 -8.631 19.032 -2.879 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.531 19.609 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.752 17.103 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.051 17.088 -1.550 1.00 0.00 H new ATOM 0 HG LEU B 5 -8.005 18.159 0.457 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -8.389 15.899 1.333 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -9.057 16.094 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -7.529 15.213 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -6.373 17.137 2.008 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -5.460 16.501 0.619 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -5.584 18.258 0.875 1.00 0.00 H new